SCHEMBL30424924 — predicted protein targets

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	1/20	0.33

▸	HTT	P42858	1/20	0.33

▸	SMN1; SMN2	Q16637	1/20	0.33

▸	MAPT	P10636	1/20	0.33

▸	KLK7	P49862	1/20	0.33

▸	RIPK1	Q13546	1/20	0.33

▸	TSHR	P16473	2/20	0.33

▸	ATM	Q13315	1/20	0.33

▸	L3MBTL1	Q9Y468	1/20	0.33

▸	SMYD2	Q9NRG4	1/20	0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL30424461	1.00	CYP3A4 (0.33)	CYP3A4HTTSMN1; SMN2MAPTKLK7
SCHEMBL4784364	0.88	ALDH1A1 (0.39)	CYP3A4HTTSMN1; SMN2MAPTRIPK1
SCHEMBL4784371	0.88	ALDH1A1 (0.39)	CYP3A4HTTSMN1; SMN2MAPTRIPK1
SCHEMBL3754571	0.87	MAPT (0.38)	CYP3A4HTTSMN1; SMN2MAPTTSHR
SCHEMBL1926988	0.84	KMT2A (0.41)	ATML3MBTL1
SCHEMBL1927300	0.84	KMT2A (0.41)	ATML3MBTL1
SCHEMBL1487233	0.84	KMT2A (0.41)	ATML3MBTL1
SCHEMBL6683815	0.83	ACP3 (0.35)	CYP3A4HTTSMN1; SMN2
SCHEMBL3850698	0.82	CYP3A4 (0.33)	CYP3A4HTTSMN1; SMN2RIPK1SMYD2
SCHEMBL3852052	0.82	CYP3A4 (0.33)	CYP3A4HTTSMN1; SMN2RIPK1SMYD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-116390727-A	N-linked isoquinolinamides as LRRK2 inhibitors, pharmaceutical compositions and uses thereof	默沙东有限责任公司	2023-07-04	—	—	CN	disclosed